SCHEMBL694883

SCHEMBL694883

O=C(O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
OPRM1 P35372 1/20 0.50
FAAH O00519 5/20 0.48
MGLL Q99685 1/20 0.48
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.44
TBXA2R P21731 1/20 0.43
GAA P10253 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3116137 0.91 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2OPRM1
SCHEMBL693978 0.90 MEN1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2OPRM1
SCHEMBL693294 0.89 MEN1 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2OPRM1
SCHEMBL694017 0.88 FAAH (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2OPRM1
SCHEMBL694155 0.87 CNR1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL693478 0.87 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL694099 0.86 CNR1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL15197208 0.86 KMT2A (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2OPRM1
SCHEMBL3103378 0.86 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2OPRM1
SCHEMBL3108889 0.86 ENPP2 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2OPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421829-A2 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS Axikin Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
WO-2010123956-A2 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2010-10-28 WO disclosed